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1.
Infect Dis Model ; 10(1): 28-39, 2025 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-39319284

RESUMO

Scrub typhus is a significant public health issue with a wide distribution and is influenced by various determinants. However, in order to effectively eradicate scrub typhus, it is crucial to identify the specific factors that contribute to its incidence at a detailed level. Therefore, the objective of our study is to identify these influencing factors, examine the spatial variations in incidence, and analyze the interplay of two factors on scrub typhus incidence, so as to provide valuable experience for the prevention and treatment of scrub typhus in Gannan and to alleviate the economic burden of the local population.This study employed spatial autocorrelation analyses to examine the dependent variable and ordinary least squares model residuals. Additionally, spatial regression modelling and geographical detector were used to analyze the factors influencing the annual mean 14-year incidence of scrub typhus in the streets/townships of Gannan region from 2008 to 2021. The results of spatial1 autocorrelation analyses indicated the presence of spatial correlation. Among the global spatial regression models, the spatial lag model was found to be the best fitting model (log likelihood ratio = -319.3029, AIC = 666.6059). The results from the SLM analysis indicated that DEM, mean temperature, and mean wind speed were the primary factors influencing the occurrence of scrub typhus. For the local spatial regression models, the multiscale geographically weighted regression was determined to be the best fitting model (adjusted R2 = 0.443, AICc = 726.489). Further analysis using the MGWR model revealed that DEM had a greater impact in Xinfeng and Longnan, while the southern region was found to be more susceptible to scrub typhus due to mean wind speed. The geographical detector results revealed that the incidence of scrub typhus was primarily influenced by annual average normalized difference vegetation index. Additionally, the interaction between GDP and the percentage of grassland area had a significant impact on the incidence of scrub typhus (q = 0.357). This study illustrated the individual and interactive effects of natural environmental factors and socio-economic factors on the incidence of scrub typhus; and elucidated the specific factors affecting the incidence of scrub typhus in various streets/townships. The findings of this study can be used to develop effective interventions for the prevention and control of scrub typhus.

2.
J Environ Sci (China) ; 148: 27-37, 2025 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-39095163

RESUMO

Naphthenic acids, NAs, are a major contaminant of concern and a focus of much research around remediation of oil sand process affected waters, OSPW. Using activated carbon adsorbents are an attractive option given their low cost of fabrication and implementation. A deeper evaluation of the effect NA structural differences have on uptake affinity is warranted. Here we provide an in-depth exploration of NA adsorption including many more model NA species than have been assessed previously with evaluation of adsorption kinetics and isotherms at the relevant alkaline pH of OSPW using several different carbon adsorbents with pH buffering to simulate the behaviour of real OSPW. Uptake for the NA varied considerably regardless of the activated carbon used, ranging from 350 mg/g to near zero highlighting recalcitrant NAs. The equilibrium data was explored to identify structural features of these species and key physiochemical properties that influence adsorption. We found that certain NA will be resistant to adsorption when hydrophobic adsorbents are used. Adsorption isotherm modelling helped explore interactions occurring at the interface between NA and adsorbent surfaces. We identified the importance of NA hydrophobicity for activated carbon uptake. Evidence is also presented that indicates favorable hydrogen bonding between certain NA and surface site hydroxyl groups, demonstrating the importance of adsorbent surface functionality for NA uptake. This research highlights the challenges associated with removing NAs from OSPW through adsorption and also identifies how adsorbent surface chemistry modification can be used to increase the removal efficiency of recalcitrant NA species.


Assuntos
Ácidos Carboxílicos , Poluentes Químicos da Água , Adsorção , Ácidos Carboxílicos/química , Poluentes Químicos da Água/química , Carvão Vegetal/química , Modelos Químicos , Cinética , Concentração de Íons de Hidrogênio
3.
Euro Surveill ; 29(44)2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39484686

RESUMO

BackgroundWest Nile virus (WNV) has an enzootic cycle between birds and mosquitoes, humans being incidental dead-end hosts. Circulation of WNV is an increasing public health threat in Europe. While detection of WNV is notifiable in humans and animals in the European Union, surveillance based on human case numbers presents some limitations, including reporting delays.AimWe aimed to perform risk mapping of WNV circulation leading to human infections in Europe by integrating two types of surveillance systems: indicator-based and event-based surveillance.MethodsFor indicator-based surveillance, we used data on human case numbers reported to the European Centre for Disease Prevention and Control (ECDC), and for event-based data, we retrieved information from news articles collected through an automated biosurveillance platform. In addition to these data sources, we also used environmental data to train ecological niche models to map the risk of local WNV circulation leading to human infections.ResultsThe ecological niche models based on both types of surveillance data highlighted new areas potentially at risk of WNV infection in humans, particularly in Spain, Italy, France and Greece.ConclusionAlthough event-based surveillance data do not constitute confirmed occurrence records, integrating both indicator-based and event-based surveillance data proved useful. These results underscore the potential for a more proactive and comprehensive strategy in managing the threat of WNV in Europe by combining indicator- and event-based and environmental data for effective surveillance and public health response.


Assuntos
Aves , Febre do Nilo Ocidental , Vírus do Nilo Ocidental , Febre do Nilo Ocidental/epidemiologia , Febre do Nilo Ocidental/diagnóstico , Humanos , Vírus do Nilo Ocidental/isolamento & purificação , Europa (Continente)/epidemiologia , Animais , Aves/virologia , Vigilância da População , Medição de Risco/métodos , Culicidae/virologia , Surtos de Doenças , Biovigilância/métodos
4.
Addiction ; 2024 Oct 31.
Artigo em Inglês | MEDLINE | ID: mdl-39482840

RESUMO

AIMS: To assess the cost-effectiveness of the Cessation of Smoking Trial in Emergency Department (COSTED) intervention compared with signposting to local stop smoking service (SSS) from the National Health Service (NHS) and personal social services (PSS) perspective. DESIGN, SETTING AND PARTICIPANTS: This was a two-group, multi-centre, pragmatic, individually randomized controlled trial set in six Emergency Departments (EDs) in urban and rural areas in the United Kingdom. Adult (≥ 18 years) daily smokers (at least one cigarette or equivalent per day) but not daily e-cigarette users, with carbon monoxide reading ≥ 8 parts per million, attending the ED (n = 972) were included. The intervention consisted of provision of an e-cigarette starter kit plus brief smoking cessation advice and referral to a local SSS. Control was an information card on how to access local SSS. MEASUREMENTS: Intervention costs included costs of training and delivery. Control costs included costs of printing information cards. Costs of smoking cessation and health-care services were estimated based on quantities reported by participants and unit costs extracted from secondary sources. The effects were measured by quality-adjusted life years (QALYs) derived from EQ-5D-5L. Other outcomes were smoking cessation measures. The primary outcome was incremental cost-effectiveness ratio (ICER), which was calculated by dividing the difference in costs by the difference in QALYs between groups. FINDINGS: The mean intervention costs were £48 [standard error (SE) = £0] per participant and the mean control costs were £0.2 (SE = £0) per participant. Using regression estimates, total costs were £31 [95% confidence interval (CI) = -£341 to £283] higher and 6-month QALYs were 0.004 (95% CI = -0.004 to 0.014) higher in the intervention group than in the control group. The ICER was calculated at £7750 (probability of cost-effective at range £20 000-30 000: 72.2-76.5%). CONCLUSIONS: The UK Cessation of Smoking Trial in Emergency Department (COSTED) intervention (provision of an e-cigarette starter kit plus brief smoking cessation advice) was cost-effective compared with signposting to local stop smoking services under the current recommendations of the maximum acceptable thresholds.

5.
Cult Health Sex ; : 1-18, 2024 Nov 01.
Artigo em Inglês | MEDLINE | ID: mdl-39482938

RESUMO

Utilising automated content analysis with transformer-based topic modelling (BERTopic), this study examines cross-outlet variation in volume and topics over two decades (2000-2022) of abortion coverage in seven major daily newspapers in the Netherlands. Our findings reveal an ongoing coverage of abortion. Volume of coverage was notably highest in religious newspapers, indicating that these newspapers constitute a prominent voice in Dutch abortion debate. We discerned four distinct frames used in abortion news coverage. The first emphasised political developments as well as protest and advocacy related to abortion, framing the issue as a controversial political and moral topic. The second emphasised uncommon and problematic aspects of abortion, neglecting to present it as a commonplace and safe reproductive healthcare procedure. Two other frames seek to undermine women's decision-making agency: the marginalisation of women's personal perspectives; and the highlighting of prerequisites for abortion care. The media's emphasis on a hierarchy of deservedness may consequently reduce public support for particular reasons for choosing abortion. Overall, our findings show that abortion remains a regularly covered and contentious issue, even amidst progressive legislation. This study highlights the need for balanced reporting that engages with women's diverse personal experiences and perspectives.

6.
Math Biosci Eng ; 21(8): 6758-6782, 2024 Aug 02.
Artigo em Inglês | MEDLINE | ID: mdl-39483092

RESUMO

Heart rate variability (HRV) is an important metric in cardiovascular health monitoring. Spectral analysis of HRV provides essential insights into the functioning of the cardiac autonomic nervous system. However, data artefacts could degrade signal quality, potentially leading to unreliable assessments of cardiac activities. In this study, we introduced a novel approach for estimating uncertainties in HRV spectrum based on matrix completion. The proposed method utilises the low-rank characteristic of HRV spectrum matrix to efficiently estimate data uncertainties. In addition, we developed a refined matrix completion technique to enhance the estimation accuracy and computational cost. Benchmarking on five public datasets, our model shows effectiveness and reliability in estimating uncertainties in HRV spectrum, and has superior performance against five deep learning models. The results underscore the potential of our developed matrix completion-based statistical machine learning model in providing reliable HRV spectrum uncertainty estimation.


Assuntos
Algoritmos , Sistema Nervoso Autônomo , Frequência Cardíaca , Aprendizado de Máquina , Frequência Cardíaca/fisiologia , Humanos , Reprodutibilidade dos Testes , Sistema Nervoso Autônomo/fisiologia , Processamento de Sinais Assistido por Computador , Eletrocardiografia/métodos , Incerteza , Aprendizado Profundo , Modelos Cardiovasculares , Modelos Estatísticos
7.
Br J Health Psychol ; 2024 Oct 22.
Artigo em Inglês | MEDLINE | ID: mdl-39435891

RESUMO

OBJECTIVES: The objective of this paper was to examine the predictors of breastfeeding exclusivity at two time-points (6 and 26 weeks postpartum) using a dyadic mother-father extended model of the theory of planned behaviour. DESIGN/METHOD: A sample of 1139 first-time Australian mother-father dyads completed measures of each of the Theory of Planned Behaviour variables (intention, attitudes, subjective norms, and perceived behavioural control) and additional psychosocial and behavioural predictors of breastfeeding, including problems with breastfeeding, psychological distress, childcare stress, partner support, and the frequency and time of first public breastfeed. Confirmatory factor analyses were used to determine the factor structures of the latent constructs to be included in the structural model. Structural equation modelling was used to model pathways between variables. RESULTS: Breastfeeding exclusivity at 6 weeks was significantly predicted by breastfeeding self-efficacy at 6 weeks, intention to exclusively breastfeed, and frequency of public breastfeeding over the month prior, whereas childcare stress, partner support, time of first public breastfeed, and fathers' variables (attitudes and subjective norms) had little influence. Self-efficacy mediated the relationship between mothers' attitudes, psychological distress, and breastfeeding problems with breastfeeding exclusivity at 6 weeks. Breastfeeding exclusivity at 26 weeks was significantly predicted by mothers' attitudes, self-efficacy, breastfeeding exclusivity at 6 weeks, and frequency of public breastfeeding in the month prior. CONCLUSIONS: The results highlight the importance of breastfeeding self-efficacy and confidence to breastfeed in public as crucial constructs in promoting long-term exclusive breastfeeding and provides support for an extended theory of planned behaviour model in predicting breastfeeding outcomes.

8.
Addiction ; 2024 Oct 22.
Artigo em Inglês | MEDLINE | ID: mdl-39438020

RESUMO

BACKGROUND AND AIMS: Opioid dependence is associated with an increased risk of suicide. Drug-related mortality among people with opioid dependence in Scotland has more than tripled since 2010; less is known about changes in suicide risk. We aimed to determine if opioid agonist therapy (OAT) in Scotland is protective against suicide and to measure trends in suicide rates in those with opioid dependence over time. DESIGN: Retrospective cohort study. SETTING: Scotland, UK. PARTICIPANTS: 46 453 individuals in Scotland who received at least one prescription for OAT between 2011 and 2020 with over 304 000 person-years (pys) of follow-up. MEASUREMENTS: We calculated standardised mortality ratios (SMR) using the age- and sex-specific suicide rates in Scotland for years 2011-2020. We fitted multivariable competing-risk regression models to estimate suicide rates by OAT exposure and to estimate trends over time, adjusting for potential confounders. FINDINGS: There were 575 deaths classed as suicide among the cohort and the overall suicide rate was 1.89 (95% confidence interval [CI] = 1.74-2.05) per 1000 pys. Age and sex SMR for suicide was 7.05 times (95% CI = 6.50-7.65) higher than in the general population. After adjustment, OAT was shown to be highly protective against suicide, with rates more than three times greater (adjusted hazard ratio: 3.07; 95% CI = 2.60-3.62) off OAT compared with on OAT. Suicide rates decreased over time, falling from 2.57 (95% CI = 2.19-3.02) per 1000 pys in 2011-12 to 1.48 (95% CI = 1.21-1.82) in 2019-20. CONCLUSION: People with opioid dependence in Scotland appear to have a greater risk of suicide than the general population. Treatment is protective, with rates of suicide lower among those on opioid agonist therapy. Suicide rates have decreased over time, during a period in which drug-related death rates in Scotland have risen to globally high levels.

9.
Sci Total Environ ; 955: 177024, 2024 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-39423899

RESUMO

Marine ecosystem functions are affected by climate change impacts such as ocean warming, deoxygenation and acidification. These impacts drive changes in distributions and body size of fish species and directly affect fisheries. Wild-capture fisheries are crucial for providing nutrients, livelihoods, and employment in tropical Southeast Asia and Pacific Island countries, where coastal communities are highly vulnerable to climate change. We examined the impacts of climate change on fish stocks and nutrient availability of seven key micronutrients (calcium, Omega-3 fatty acids, iodine, iron, vitamin A, vitamin B12 and zinc) in Southeast Asia, Pacific Islands, and Oceania (Australia and New Zealand). We combined micronutrient demands by local human populations with Sea Around Us reconstructed catch time series and catch projections from a dynamic bioclimate envelope model for the 21st century. The model predicted a decline in the Maximum Catch Potential (MCP) within Exclusive Economic Zones for Oceania, Pacific Islands, and Southeast Asian countries. Under the 'strong mitigation' scenario, catch potential reductions ranged from a decline of 54-66 % in Oceania, 58-92 % in Pacific Islands, and 65-86 % in Southeast Asia by the mid to the end of the 21st century relative to the historical period, respectively. Under the 'no-mitigation' climate scenario, reductions were more severe, with a decline of 55-70 % in Oceania, 66-92 % in Pacific Islands, and 70-86 % in Southeast Asia for the same time periods. Our findings indicate that Australia and New Zealand are unlikely to meet the recommended nutrient intake demand for most micronutrients through their fisheries (not considering trade or aquaculture production), except for iodine and vitamin B12. Pacific Island countries will likely follow the same pattern while Southeast Asia is expected to face worsening deficits, except for iodine and vitamin B12. This study highlights the importance of incorporating nutritional considerations of seafood into national food, trade and economic policies.

10.
Sci Rep ; 14(1): 24556, 2024 Oct 19.
Artigo em Inglês | MEDLINE | ID: mdl-39427031

RESUMO

This investigation purposes to use the recycling waste materials in concrete to produce a sustainable environment for construction. The Costus lucanius bagasse fiber (CLBF) was utilized as supplementary cementitious material (SCM) to analyse the workability and mechanical properties of blended cement concrete. The concrete samples were made with the inclusion of 5-20% of CLBF at several w/c ratio by applying RSM modelling and optimization. Moreover, the cubical specimens were cast to study the compressive strength (CS), while beams were used to investigate the flexural strength (FS) on 28th days correspondingly. The outcomes show that the compressive and flexural strengths were decreased with rise in proportion replacement in concrete at various w/c ratio. The highest flexural and compressive strengths was attained at 5% of CLBF at 28 days respectively. Across the tested specimens, the values of compressive strength and flexural strength ranged from 30.20 to 53.92 N/mm2 and 2.15-8.81 N/mm2 for CLBF correspondingly. Besides, the workability and water absorption of concrete is getting decreased as the content of CLBF increases while it is recorded increasing as w/c ratio increases from 0.20 to 0.40. Furthermore, response model predictions were constructed and verified applying ANOVA at an acceptable level of significance of 95%. The coefficients of R2 for the mathematical models ranged from 98 to 99.99%. The research study also indicated that cement can be substituted by CLBF in the production of concrete for various construction purposes.

11.
R Soc Open Sci ; 11(10): 240903, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39359461

RESUMO

We provide an in silico study of stochastic viral infection extinction from a pharmacokinetical viewpoint. Our work considers a non-specific antiviral drug that increases the virus clearance rate, and we investigate the effect of this drug on early infection extinction. Infection extinction data are generated by a hybrid multiscale framework that applies both continuous and discrete mathematical approaches. The central result of our paper is the observation, analysis and explanation of a linear relationship between the virus clearance rate and the probability of early infection extinction. The derivation behind this simple relationship is given by merging different mathematical toolboxes.

12.
Comput Biol Med ; 182: 109233, 2024 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-39362002

RESUMO

BACKGROUND: Patient medical information often exists in unstructured text containing abbreviations and acronyms deemed essential to conserve time and space but posing challenges for automated interpretation. Leveraging the efficacy of Transformers in natural language processing, our objective was to use the knowledge acquired by a language model and continue its pre-training to develop an European Portuguese (PT-PT) healthcare-domain language model. METHODS: After carrying out a filtering process, Albertina PT-PT 900M was selected as our base language model, and we continued its pre-training using more than 2.6 million electronic medical records from Portugal's largest public hospital. MediAlbertina 900M has been created through domain adaptation on this data using masked language modelling. RESULTS: The comparison with our baseline was made through the usage of both perplexity, which decreased from about 20 to 1.6 values, and the fine-tuning and evaluation of information extraction models such as Named Entity Recognition and Assertion Status. MediAlbertina PT-PT outperformed Albertina PT-PT in both tasks by 4-6% on recall and f1-score. CONCLUSIONS: This study contributes with the first publicly available medical language model trained with PT-PT data. It underscores the efficacy of domain adaptation and offers a contribution to the scientific community in overcoming obstacles of non-English languages. With MediAlbertina, further steps can be taken to assist physicians, in creating decision support systems or building medical timelines in order to perform profiling, by fine-tuning MediAlbertina for PT- PT medical tasks.

13.
J Environ Manage ; 370: 122748, 2024 Oct 02.
Artigo em Inglês | MEDLINE | ID: mdl-39362161

RESUMO

By implementing advanced wastewater treatment technologies coupled with digital tools, high-quality water is produced to be reused within the industry, enhancing process efficiency and closing loops. This paper investigates the impact of three innovation tools (process, circular and digital) in a Solvay chemical plant. Four technologies of the wastewater treatment plant "WAPEREUSE" were deployed, predicting their performance by process modelling and simulation in the PSM Tool. The environmental impact was assessed using Life Cycle Assessment and compared to the impact of the current industrial effluent discharge. The circularity level was assessed through three alternative closed-loop scenarios: (1) conventional treatment and discharge to sea (baseline), (2) conventional and advanced treatment by WAPEREUSE and discharge to sea, (3) conventional and advanced treatment by WAPEREUSE and industrial water reuse through cross-sectorial symbiotic network, where effluents are exchanged among the process industry, municipality and a water utility. Scenario 1 has the lowest pollutants' removal efficiency with environmental footprint of 0.93 mPt/m3. WAPEREUSE technologies decreased COD by 98.3%, TOC by 91.4% and nitrates by 94.5%. Scenario 2 had environmental footprint of 1.12 mPt/m3. The cross-sectorial symbiotic network on the industrial value chain resulted in higher industrial circularity and sustainability level, avoiding effluents discharge. Scenario 3 is selected as the best option with 0.72 mPt per m3, reducing the environmental footprint by 21% and 36% compared to Scenarios 1 and 2, respectively.

14.
Angew Chem Int Ed Engl ; : e202415448, 2024 Oct 04.
Artigo em Inglês | MEDLINE | ID: mdl-39364640

RESUMO

RG1 is a quadruplex-forming sequence in the SARS-CoV-2 genome proposed as possible therapeutic target for COVID-19. We demonstrate that the dominant conformation of RG1 under physiological conditions differs from the parallel quadruplex previously assumed. Through comprehensive investigations employing CD, UV, NMR, DSC, gel electrophoresis, MD simulations, in silico spectroscopy and the use of truncated RG1 sequences, we have identified this stable conformation as an RNA G-triplex composed of two G-triads. We believe this previously unreported RNA structure could serve as a novel therapeutic target. Our findings open new avenues for further studies on the presence and biological role of RNA G-triplexes in vivo.

15.
Can Commun Dis Rep ; 50(10): 345-356, 2024 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-39380801

RESUMO

Background: The COVID-19 pandemic underlined the need for pandemic planning but also brought into focus the use of mathematical modelling to support public health decisions. The types of models needed (compartment, agent-based, importation) are described. Best practices regarding biological realism (including the need for multidisciplinary expert advisors to modellers), model complexity, consideration of uncertainty and communications to decision-makers and the public are outlined. Methods: A narrative review was developed from the experiences of COVID-19 by members of the Public Health Agency of Canada External Modelling Network for Infectious Diseases (PHAC EMN-ID), a national community of practice on mathematical modelling of infectious diseases for public health. Results: Modelling can best support pandemic preparedness in two ways: 1) by modelling to support decisions on resource needs for likely future pandemics by estimating numbers of infections, hospitalized cases and cases needing intensive care, associated with epidemics of "hypothetical-yet-plausible" pandemic pathogens in Canada; and 2) by having ready-to-go modelling methods that can be readily adapted to the features of an emerging pandemic pathogen and used for long-range forecasting of the epidemic in Canada, as well as to explore scenarios to support public health decisions on the use of interventions. Conclusion: There is a need for modelling expertise within public health organizations in Canada, linked to modellers in academia in a community of practice, within which relationships built outside of times of crisis can be applied to enhance modelling during public health emergencies. Key challenges to modelling for pandemic preparedness include the availability of linked public health, hospital and genomic data in Canada.

16.
Phytomedicine ; 135: 156108, 2024 Sep 29.
Artigo em Inglês | MEDLINE | ID: mdl-39383634

RESUMO

BACKGROUND: Alzheimer's disease (AD) is a neurodegenerative disease that leads to development of cognition and memory dysfunctions. Currently, there is no known cure for AD, although limited medications are approved for the management of disease condition. Various plant-based leads give new hope for considering phytoconstituents as anti-AD drugs. The Piper nigrum L. fruit extract was reported to have anti-Alzheimer's activity. It creates an interest in the finding of active moieties that may be accountable for anti-AD activity. HYPOTHESIS/PURPOSE: Identification of multitarget directed ligands isolated from Piper nigrum fruits through AI based studies. STUDY DESIGN: The phytochemical analysis of alkaloid fraction was carried out by LCMS, followed by the evaluation of constituents through in silico studies. METHODS: The fruits methanolic extract was prepared by cold maceration technique. The chemical profiling of the alkaloidal fraction was carried out using LCMS/MS analysis. The obtained compound's target hit genes were identified through network pharmacology studies using String, Metascape, and Cytoscape tools. Further, docking studies and MD simulations were carried out using AutoDock4 and Desmond-Maestro software. Then, electrochemical properties of hit compound P4 were determined using Gaussview6 software. RESULTS: From LCMS/MS analysis data, 29 compounds were considered based on compound intensity and accuracy (>95 %). Then, 41 common gene targets were identified from AD genes and compound-targeted genes. The 41 common genes in the PPI network suggested that AChE and BACE1 were the most abundant proteins. Further, docking studies revealed the hit compound P4 binding interaction and energies when compared to other 28 ligands. The molecular dynamics studies showed that P4-AChE and P4-BACE1 complexes were stable, and there were no RMSD and RMSF fluctuations were observed up to 100 ns. Further, PCA and MM-GBSA analysis data supported that complexes (P4-AChE and P4-BACE1) were stable. The DFT and surface properties indicated that compound P4 was ideal candidate for AD treatment and must be considered for further biological activity studies. CONCLUSION: The study identified compound P4 (dehydropipernonaline) from alkaloidal fraction of Piper nigrum fruits, suggesting it may be hit candidate for AD treatment.

17.
Data Brief ; 57: 110958, 2024 Dec.
Artigo em Inglês | MEDLINE | ID: mdl-39386328

RESUMO

This work contains a water sorption isotherms dataset obtained on dried parchment coffee beans processed by wet and semi-dry postharvest methods and their mid-infrared spectral data. The experimental data of water sorption isotherms were determined using the Dynamic Dewpoint Isotherm (DDI) method. The measurements were taken in a water activity range of 0.1 to 0.85 and at 25, 35, and 45 °C temperatures. To spectrally characterize the dried parchment coffee beans processed by wet and semi-dry postharvest methods, the Attenuated Total Reflection Fourier Transform Infrared (ATR-FTIR) spectroscopy technique was used. The dataset comprises Excel files with the experimental data acquired for the dried parchment coffee beans processed by wet and semi-dry postharvest methods and the experimental conditions assessed. This dataset serves as a reliable and valuable tool for researchers, coffee producers, and decision-makers to be used as the basis for mathematically computing relevant parameters related to the coffee shelf life and hygroscopic behavior, as well as to develop suitable packaging materials/containers to maximize the quality of coffee beans in terms of sensory flavors and moisture stability. Furthermore, the experimental data provide a reliable tool for optimizing the coffee storage process and gaining insights into the water-sorption process.

18.
Front Bioeng Biotechnol ; 12: 1429574, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39376545

RESUMO

Individuals with transfemoral lower limb amputations walk with adapted gait. These kinetic and kinematic compensatory strategies will manifest as differences in muscle recruitment patterns. It is important to characterize these differences to understand the reduced endurance, reduced functionality, and progression of co-morbidities in this population. This study aims to characterize muscle recruitment during gait of highly functional individuals with traumatic transfemoral amputations donning state-of-the-art prosthetics compared to able-bodied controls. Inverse dynamic and static optimisation methods of musculoskeletal modelling were used to quantify muscle forces of the residual and intact limb over a gait cycle for 11 individuals with traumatic transfemoral amputation and for 11 able-bodied controls. Estimates of peak muscle activation and impulse were calculated to assess contraction intensity and energy expenditure. The generalized estimation equation method was used to compare the maximum values of force, peak activation, and impulse of the major muscles. The force exhibited by the residual limb's iliacus, psoas major, adductor longus, tensor fasciae latae and pectineus is significantly higher than the forces in these muscles of the intact contralateral limb group and the able-bodied control group (p < 0.001). These muscles appear to be recruited for their flexor moment arm, indicative of the increased demand due to the loss of the plantar flexors. The major hip extensors are recruited to a lesser degree in the residual limb group compared to the intact limb group (p < 0.001). The plantar flexors of the intact limb appear to compensate for the amputated limb with significantly higher forces compared to the able-bodied controls (p = 0.01). Significant differences found in impulse and peak activation consisted of higher values for the limbs (residual and/or intact) of individuals with transfemoral lower limb amputations compared to the able-bodied controls, demonstrating an elevated cost of gait. This study highlights asymmetry in hip muscle recruitment between the residual and the intact limb of individuals with transfemoral lower limb amputations. Overall elevated impulse and peak activation in the limbs of individuals with transfemoral amputation, compared to able-bodied controls, may manifest in the reduced walking endurance of this population. This demand should be minimised in rehabilitation protocols.

19.
Front Vet Sci ; 11: 1459293, 2024.
Artigo em Inglês | MEDLINE | ID: mdl-39376926

RESUMO

Lumpy skin disease (LSD) is an infectious disease currently spreading worldwide and poses a serious global threat. However, there is limited evidence and understanding to support the use of models to inform decision-making in LSD outbreak responses. This review aimed to identify modelling approaches that can be used before and during an outbreak of LSD, examining their characteristics and priorities, and proposing a structured workflow. We conducted a systematic review and identified 60 relevant publications on LSD outbreak modelling. The review identified six categories of question to be addressed following outbreak detection (origin, entry pathway, outbreak severity, risk factors, spread, and effectiveness of control measures), and five analytical techniques used to address them (descriptive epidemiology, risk factor analysis, spatiotemporal analysis, dynamic transmission modelling, and simulation modelling). We evaluated the questions each analytical technique can address, along with their data requirements and limitations, and accordingly assigned priorities to the modelling. Based on this, we propose a structured workflow for modelling during an LSD outbreak. Additionally, we emphasise the importance of pre-outbreak preparation and continuous updating of modelling post-outbreak for effective decision-making. This study also discusses the inherent limitations and uncertainties in the identified modelling approaches. To support this workflow, high-quality data must be collected in standardised formats, and efforts should be made to reduce inherent uncertainties of the models. The suggested modelling workflow can be used as a process to support rapid response for countries facing their first LSD occurrence and can be adapted to other transboundary diseases.

20.
J Environ Manage ; 370: 122552, 2024 Oct 07.
Artigo em Inglês | MEDLINE | ID: mdl-39378815

RESUMO

Nanoscale zero-valent iron (nZVI) particles are routinely used for environmental remediation, but their transport dynamics in different settings remain unclear, hindering optimization. This study introduces a novel approach to predicting nZVI transport in saturated porous model environment. The method employs advanced long column devices for real-time monitoring via controlled magnetic susceptibility measurements. Numerical modeling with a modified version of the MNMs 2023 software was then used to predict nZVI and its derivatives mobility in field-like conditions, offering insights into the radius of influence (ROI) and shape factor (SF) of their distribution. A standard nZVI precursor was compared with its four major commercial derivatives: nitrided, polyacrylic acid-coated, oxide-passivated, and sulfidated nZVI. All these iron-based nanoparticles exhibited identical particle sizes, morphologies, surface areas, and phase compositions, isolating surface properties, dominated by charge, as the sole variable affecting their mobility. The study revealed optimal transport when the surface charge of nZVI and its derivatives was strongly negative, while rapid aggregation of nZVI derivatives due magnetic attraction reduced their mobility. Modeling predictions based on column scale-up, indicated that detectable concentrations of 20 g L⁻1 were found at distances ranging from 0.4 to 1.1 m from the injection well. Slightly sulfidated nZVI traveled farther than the nZVI precursor and ensured more homogenous particle distribution around the well. Organically modified nZVI migrated the longest distances but showed particle accumulation close to the injection point. The findings suggest that minimal sulfidation combined with organic modification of nZVI surfaces may effectively enhance radial and vertical nZVI distribution in aquifers. Such improvements increase the commercial viability of modified nZVI, reduce their adverse impacts, and boosts their practical applications in real-world scenarios.

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